CID 18799209

Tryptophyllysine

Structural Information

Molecular Formula
C17H24N4O3
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)N
InChI
InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)
InChIKey
DZHDVYLBNKMLMB-UHFFFAOYSA-N
Compound name
6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

332.18484 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19212 179.1
[M+Na]+ 355.17406 183.9
[M+NH4]+ 350.21866 182.7
[M+K]+ 371.14800 183.2
[M-H]- 331.17756 178.2
[M+Na-2H]- 353.15951 179.5
[M]+ 332.18429 178.6
[M]- 332.18539 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe